Materials Literature
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Preliminary investigation into sonochemical treatment of polyvinyl chloride (PVC) was carried out in various liquids at temperatures up to 473 K, and the dechlorination of PVC was analyzed by thermogravimetry. The results indicated that dechlorination was observed and was affected by the kind of liquid used and the tr…
Abstract For Abstract see ChemInform Abstract in Full Text.
An improvement to the Flynn−Wall method of determining apparent activation energies of the thermal degradation of polymers is presented. The method involves the deconvolution of differential thermogravimetric (TG) curves and the reconstruction of the corresponding TG curves of the individual thermal degradation proces…
13C-2H REDOR NMR experiments were performed on 30-residue (AlaGly)15 silk I mimics of Bombyx mori silk fibroin to gain structural details about the elusive structure of the silk I conformation. 13C,2H-labeling strategies are illustrated for measuring individual dihedral angles in peptides and for determining local str…
Abstract For Abstract see ChemInform Abstract in Full Text.
The highly c-oriented ZnO films were epitaxially grown on n-type Si (111) substrate at the temperature range of 340–460 °C using the low-pressure metalorganic chemical vapor deposition method. All films exhibit a pronounced (002) peak for ZnO, indicative of the strong c-axis oriented characteristic. The ZnO film grown…
The adsorption of a phenol molecule on a Ni(111) surface is studied by employing an ab initio DFT approach. Adsorption energies and geometries at each surface high symmetry site are determined and compared with the analogous case of benzene. Adsorption at the bridge site, with C-C bond along the $[2\ifmmode\bar\else\t…
A novel carbohydrate-derived side-chain polyether was synthesized as a new biomaterial by condensation polymerization of monomers derived from natural occurring carbohydrates. Surface plasmon resonance spectroscopy studies demonstrated that this side-chain polyether has excellent resistance to nonspecific protein adso…
The proposed biosynthetic pathway to the carbapenem antibiotics proceeds via epimerization/desaturation of a carbapenam in an unusual process catalyzed by an iron- and 2-oxoglutarate-dependent oxygenase, CarC. Crystal structures of CarC complexed with Fe(II) and 2-oxoglutarate reveal it to be hexameric (space group C2…
The available sites for ions in a typical disordered ionic conductor are determined. For this purpose we devised a straightforward algorithm which via cluster analysis identifies these sites from long time ionic trajectories below the glass transition. This is exemplified for a lithium silicate glass (Li2O)(x)(SiO2)((…
Surfactant templated silica mesophases belong to the class of self-assembled materials that exhibit long range ordered two-dimensional (2D) hexagonal, three-dimensional (3D) hexagonal, or 3D cubic mesostructures when the composition of the initial deposited solution and its aging time have been optimized. Thin films o…
We theoretically investigate the mechanical deformations of armchair, zigzag, and zigzag-armchair kink nanotube structures, under severe bendings, within a tight-binding model. It is shown that the zigzag tube is stiffer than the armchair tube with the same diameter. The kink structure is found to be quite stable unde…
One-dimensional (1D) magnetic nanomaterials have attracted much attention recently because of their applications in magnetic recording and spintronics. Nevertheless, it remains a challenge to prepare free-standing magnetic nanowires in high yield. This Communication reports the successful high-yield synthesis of an in…
We present an efficient method to mix well converged ab initio forces with simpler and faster ones in molecular dynamics. While the cheap forces are evaluated every time step, the converged ones correct the trajectory only every n time steps. For convenience, both types of forces are calculated with the same basic sch…
The magnetic properties of antiferromagnetic (AFM) EuTe epitaxial layers and short period EuTe/PbTe superlattices (SLs), grown by molecular beam epitaxy on (111) BaF$_2$ substrates, were studied by magnetization and neutron diffraction measurements. Considerable changes of the Néel temperature as a function of the EuT…
We present detailed angle-dependent single crystal electron paramagnetic resonance (EPR) data for field rotations in the hard plane of the S=10 single molecule magnet Mn(12)-acetate. A clear fourfold variation in the resonance positions may be attributed to an intrinsic fourth-order transverse anisotropy (O(4)/(4)). M…
Combining density-functional theory and thermodynamics we compute the phase diagram of surface structures of rutile ${\mathrm{RuO}}_{2}(110)$ in equilibrium with water vapor in the complete range of experimentally accessible gas phase conditions. Through the formation of hydroxyl or waterlike groups, already lowest co…
Free gas bubbles in water with radii between 7 and 55 microm subjected to a shock wave exhibit a liquid jetting phenomenon with the jet pointing in the direction of the propagating shock wave. With increasing bubble radius, the length of the jet tip increases and a lower estimate of the averaged jet velocity increases…
TaN thin film is an attractive interlayer as well as a diffusion barrier layer in [FeN/TaN](n) multilayers for the application as potential write-head materials in high-density magnetic recording. We synthesized two series of TaN films on glass and Si substrates by using reactive radio-frequency sputtering under 5-mto…
We studied the in-plane magnetic anisotropy of rf (radio frequency) sputtered [(FeTaN)/(TaN)](n) multilayers synthesized on Si substrates. In the multilayers where n=5, the FeTaN thickness is fixed at 30 nm and the thickness of TaN, t(TaN), is varied from 0 to 6.0 nm, we observed a clear trend that, with increasing t(…